N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine

C17H20F2N4O — CID 133325736

IUPACN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(c3ccc(OC(F)F)cc3)C2)n1
InChIInChI=1S/C17H20F2N4O/c1-12-8-9-20-17(21-12)22-13-3-2-10-23(11-13)14-4-6-15(7-5-14)24-16(18)19/h4-9,13,16H,2-3,10-11H2,1H3,(H,20,21,22)
InChIKeyPRINCOGZOKYMFP-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.47
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine

N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine (PubChem CID 133325736) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
PubChem CID133325736
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(c3ccc(OC(F)F)cc3)C2)n1
InChIInChI=1S/C17H20F2N4O/c1-12-8-9-20-17(21-12)22-13-3-2-10-23(11-13)14-4-6-15(7-5-14)24-16(18)19/h4-9,13,16H,2-3,10-11H2,1H3,(H,20,21,22)
InChIKeyPRINCOGZOKYMFP-UHFFFAOYSA-N
XLogP3.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133304646
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide
CID 71994057
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-3-nitropyridin-2-amine
CID 133325739
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133325708
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
2-[4-(difluoromethoxy)phenyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79915947
N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96568176
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717
1-tert-butyl-6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268829
[1-[6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133325726
4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993129
4-N,4-N-dimethyl-2-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881783

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine (CID 133325736) is N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine is Cc1ccnc(NC2CCCN(c3ccc(OC(F)F)cc3)C2)n1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The InChIKey is PRINCOGZOKYMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-12-8-9-20-17(21-12)22-13-3-2-10-23(11-13)14-4-6-15(7-5-14)24-16(18)19/h4-9,13,16H,2-3,10-11H2,1H3,(H,20,21,22).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine has a molecular weight of 334.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133325736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).